TL;DR: methyl N-{[4-(acetylamino)phenyl]carbamoyl}-L-leucinate (CAS 1173678-01-7) is a chemical compound with molecular formula C16H23N3O4 and molecular weight 321.16885 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (2S)-2-[(4-acetamidophenyl)carbamoylamino]-4-methylpentanoate
Also Known As: methyl N-{[4-(acetylamino)phenyl]carbamoyl}-L-leucinate, (S)-methyl 2-(3-(4-acetamidophenyl)ureido)-4-methylpentanoate, methyl (2S)-2-[(4-acetamidophenyl)carbamoylamino]-4-methylpentanoate
| Molecular Formula | C16H23N3O4 |
| Molecular Weight | 321.16885 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 96.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 321.16885 Da |
| Heavy Atoms | 23 |
| Complexity | 418.0 |
| SMILES | CC(C)C[C@@H](C(=O)OC)NC(=O)NC1=CC=C(C=C1)NC(=O)C |
| InChIKey | ASGPEMAGVIEECJ-AWEZNQCLSA-N |
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl N-{[4-(acetylamino)phenyl]carbamoyl}-L-leucinate. The TPSA of 96.5 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl N-{[4-(acetylamino)phenyl]carbamoyl}-L-leucinate. Following Lipinski's Rule of Five, methyl N-{[4-(acetylamino)phenyl]carbamoyl}-L-leucinate has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of methyl N-{[4-(acetylamino)phenyl]carbamoyl}-L-leucinate is 1173678-01-7.
The molecular formula of methyl N-{[4-(acetylamino)phenyl]carbamoyl}-L-leucinate is C16H23N3O4.
The molecular weight of methyl N-{[4-(acetylamino)phenyl]carbamoyl}-L-leucinate is 321.16885 g/mol.
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